CAS No.200958-40-3,2-BROMO-4-NITRO(TRIFLUOROMETHOXY)BENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	200958-40-3
Name:	2-BROMO-4-NITRO(TRIFLUOROMETHOXY)BENZENE

Formula:	C₇H₃BrF₃NO₃
Molecular Weight:	286.005
Synonyms:	2-Bromo-4-nitro-1-(trifluoromethoxy)benzene;
Density:	1.811 g/cm³
Boiling Point:	260.7 °C at 760 mmHg
Flash Point:	111.5 °C
PSA:	55.05000
LogP:	3.77910

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Specification

The Benzene,2-bromo-4-nitro-1-(trifluoromethoxy)-, with the CAS registry number 200958-40-3, is also known as 5-Nitro-2-(trifluoromethoxy)bromobenzene. This chemical's molecular formula is C₇H₃BrF₃NO₃ and molecular weight is 286. What's more, its systematic name is called 2-Bromo-4-nitro-1-(trifluoromethoxy)benzene. It should be kept in a airtight, cold and dry place.

Physical properties about Benzene,2-bromo-4-nitro-1-(trifluoromethoxy)- are: (1) ACD/LogP: 3.44; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.44; (4) ACD/LogD (pH 7.4): 3.44; (5) #H bond acceptors: 4; (6) #H bond donors: 0; (7) #Freely Rotating Bonds: 2; (8) Polar Surface Area: 55.05 Å²; (9) Index of Refraction: 1.515; (10) Molar Refractivity: 47.62 cm³; (11) Molar Volume: 157.8 cm³; (12) Surface Tension: 38.6 dyne/cm; (13) Density: 1.811 g/cm³; (14) Flash Point: 111.5 °C; (15) Enthalpy of Vaporization: 47.83 kJ/mol; (16) Boiling Point: 260.7 °C at 760 mmHg; (17) Vapour Pressure: 0.0195 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(ccc1OC(F)(F)F)[N+]([O-])=O
(2) InChI: InChI=1/C7H3BrF3NO3/c8-5-3-4(12(13)14)1-2-6(5)15-7(9,10)11/h1-3H
(3) InChIKey: LVTAFGFYMLODQP-UHFFFAOYAF